UCSF

ZINC05753657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.80 10.33 -12.83 1 6 0 91 367.43 3
Mid Mid (pH 6-8) 5.31 10.28 -50.42 0 6 -1 90 366.422 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )